5-bromo-N-[3-(morpholine-4-carbonyl)phenyl]-2-propan-2-yloxybenzamide

C21H23BrN2O4 — CID 17205565

IUPAC5-bromo-N-[3-(morpholine-4-carbonyl)phenyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C21H23BrN2O4/c1-14(2)28-19-7-6-16(22)13-18(19)20(25)23-17-5-3-4-15(12-17)21(26)24-8-10-27-11-9-24/h3-7,12-14H,8-11H2,1-2H3,(H,23,25)
InChIKeyFFRDIYYPYULGAS-UHFFFAOYSA-N
MW447.33 g/mol
LogP3.96
Rot. Bonds5

About 5-bromo-N-[3-(morpholine-4-carbonyl)phenyl]-2-propan-2-yloxybenzamide

5-bromo-N-[3-(morpholine-4-carbonyl)phenyl]-2-propan-2-yloxybenzamide (PubChem CID 17205565) has the molecular formula C21H23BrN2O4 and a molecular weight of 447.33 g/mol. Its IUPAC name is 5-bromo-N-[3-(morpholine-4-carbonyl)phenyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[3-(morpholine-4-carbonyl)phenyl]-2-propan-2-yloxybenzamide
PubChem CID17205565
Molecular FormulaC21H23BrN2O4
Molecular Weight447.33 g/mol
Exact Mass446.08
IUPAC Name5-bromo-N-[3-(morpholine-4-carbonyl)phenyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C21H23BrN2O4/c1-14(2)28-19-7-6-16(22)13-18(19)20(25)23-17-5-3-4-15(12-17)21(26)24-8-10-27-11-9-24/h3-7,12-14H,8-11H2,1-2H3,(H,23,25)
InChIKeyFFRDIYYPYULGAS-UHFFFAOYSA-N
XLogP3.96
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17197517
5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 26164799
5-bromo-N-[3-(tert-butylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 28639516
3-bromo-4-(2-methylpropoxy)-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205552
N-[3-(morpholine-4-carbonyl)phenyl]-2-(2-propan-2-yloxyanilino)acetamide
CID 54830960
5-bromo-2-butoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 26161701
5-bromo-N-[3-(2-methoxyethylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17219067
5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide
CID 17051414
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
3-bromo-2-hydroxy-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 56566780
2-(2-bromo-4-chlorophenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 17205542
5-bromo-N-[[3-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 17205900

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(morpholine-4-carbonyl)phenyl]-2-propan-2-yloxybenzamide?
The IUPAC name of 5-bromo-N-[3-(morpholine-4-carbonyl)phenyl]-2-propan-2-yloxybenzamide (CID 17205565) is 5-bromo-N-[3-(morpholine-4-carbonyl)phenyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-bromo-N-[3-(morpholine-4-carbonyl)phenyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-bromo-N-[3-(morpholine-4-carbonyl)phenyl]-2-propan-2-yloxybenzamide is CC(C)Oc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of 5-bromo-N-[3-(morpholine-4-carbonyl)phenyl]-2-propan-2-yloxybenzamide?
The InChIKey is FFRDIYYPYULGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O4/c1-14(2)28-19-7-6-16(22)13-18(19)20(25)23-17-5-3-4-15(12-17)21(26)24-8-10-27-11-9-24/h3-7,12-14H,8-11H2,1-2H3,(H,23,25).
What are the key properties of 5-bromo-N-[3-(morpholine-4-carbonyl)phenyl]-2-propan-2-yloxybenzamide?
5-bromo-N-[3-(morpholine-4-carbonyl)phenyl]-2-propan-2-yloxybenzamide has a molecular weight of 447.33 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(morpholine-4-carbonyl)phenyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 17205565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).